Vitas-M small molecule compound
2-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
Catalog ID
STK211586
SMILES C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1c1ccc(cc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H19N5OS MW 389.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5OS/c1-3-12-26-19(15-10-8-14(2)9-11-15)24-25-21(26)28-13-18-22-17-7-5-4-6-16(17)20(27)23-18/h3-11H,1,12-13H2,2H3,(H,22,23,27)InChIKey
KKLRCVULVVFXGE-UHFFFAOYSA-NSynonyms
2(((5(4METHYLPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)METHYL)QUINAZOLIN4(3H)ONE
2((5(4METHYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYLMETHYL)1HQUINAZOLIN4ONE
2(4ALLYL5PTOLYL4H(124)TRIAZOL3YLSULFANYLMETHYL)3HQUINAZOLIN4ONE
C=CCn1c(SCc2nc3ccccc3c(=O)(nH)2)nnc1c1ccc(cc1)C
CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3
InChI=1SC21H19N5OSc13122619(1510814(2)91115)242521(26)2813182217754616(17)20(27)2318h311H11213H22H3(H222327)
MFCD08670181
ZINC000004741677
ZINC04741677
ZINC4741677
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